NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 T 4.3641 8.1749 112.9161 60.9474 70.2839 174.0011 7 Q 4.1055 9.0196 112.7392 60.2186 27.9306 177.0863 *8 S 3.2868 8.7564 116.9396 57.8800 66.5070 178.3303 9 E 3.3365 9.7526 114.5520 63.2343 25.0922 178.9591 10 N 3.4224 6.2101 118.4117 53.6006 40.4170 175.5819 11 S 4.1987 7.9236 114.8764 58.5520 59.9227 167.9972 12 C 4.9570 7.6772 118.6541 54.5277 43.7210 174.3315 13 T 4.3485 8.4302 113.7768 61.8661 69.9042 173.2991 14 H 4.0643 8.5590 115.8102 56.9798 26.5090 174.2230 15 F 5.0846 8.0900 118.7022 55.9298 42.2870 172.0374 16 P 3.3482 0.0000 0.0000 62.2308 31.2108 177.9453 17 G 3.6359 7.9348 110.2851 48.8491 0.0000 174.3641 18 N 4.7518 8.2163 115.9008 52.9082 38.0807 176.9986 19 L 3.9709 8.0158 121.4240 57.8546 41.6147 177.4707 20 P 4.2649 0.0000 0.0000 65.5217 31.2756 178.0982 21 N 4.2909 8.1254 115.3951 57.0110 38.9083 176.6503 22 M 4.0943 8.1360 120.0465 58.4341 31.9472 178.8021 23 L 4.0451 7.9342 118.9247 57.6678 41.6746 179.7343 24 R 3.9272 8.2144 118.2005 59.3677 29.9517 178.7090 25 D 4.3592 8.2281 118.6713 57.3328 40.8950 178.7180 26 L 3.9625 8.0971 120.7239 58.3216 42.1398 179.3121 27 R 4.0832 8.3573 118.2934 59.2710 29.7346 178.8188 28 D 4.3690 8.2966 118.1233 57.2840 40.9916 178.3124 29 A 4.1316 8.3060 121.5311 55.1716 18.3266 179.5151 30 F 4.3130 8.3710 119.3008 61.2622 39.5589 177.3536 31 S 3.8310 8.2644 114.0936 61.4528 62.3070 176.5139 32 R 4.0911 7.5697 119.9780 57.6725 30.1696 177.3536 33 V 4.4371 7.5360 110.5044 60.1725 33.6475 177.2947 34 K 3.5848 7.4210 121.6163 59.7338 31.9003 178.7921 35 T 3.8308 7.7469 115.3895 66.4932 68.4429 175.9007 36 F 3.9161 8.2432 122.0602 61.7272 39.2670 177.2213 37 F 4.3707 8.2333 116.6387 60.4519 38.4800 177.8818 38 Q 4.1352 8.2408 117.3892 59.0659 28.5251 178.2283 39 M 4.1723 7.9270 119.2086 58.2059 32.0646 178.5580 40 K 4.0822 7.5138 117.8091 58.0609 32.2351 176.9756 41 D 4.5198 7.7229 119.6662 54.0396 41.0586 175.3912 42 Q 4.5874 8.7072 123.7020 55.7188 29.0397 174.9836 43 L 4.7474 7.8128 117.6490 53.6625 43.6792 176.1802 44 D 4.7474 8.4466 119.5300 53.1801 40.2994 176.4549 45 N 4.5983 7.8336 117.4049 52.3159 38.4182 173.9259 46 L 4.3609 8.1720 121.4123 54.1920 43.2130 175.9646 47 L 4.2402 8.5848 127.9899 57.5900 42.7469 177.6016 48 L 4.3113 7.4853 119.3376 53.1223 40.1888 176.6284 49 K 4.1548 7.6763 121.8102 55.8658 33.2725 177.9965 50 E 4.0210 8.5824 120.6362 58.7466 29.5086 178.9913 51 S 4.5713 7.9598 115.3917 60.7369 62.9553 176.0711 52 L 3.8022 7.7448 124.1490 57.7974 41.8757 178.5374 53 L 3.6449 7.6105 119.6723 58.2178 41.9083 178.4906 54 E 3.9829 8.0626 118.3524 59.7802 29.3568 179.2738 55 D 4.4788 8.1863 118.7160 57.3522 40.7101 178.8448 56 F 4.3211 8.6072 118.3427 59.9545 38.6607 176.9436 57 K 4.4638 7.9887 115.5639 58.5343 32.9907 177.3783 58 G 4.2754 7.6251 106.4126 43.5574 0.0000 173.4631 59 Y 4.2154 8.8588 117.4122 59.5258 38.2941 176.7817 60 L 4.3011 6.8848 119.1140 54.4176 42.2581 178.4150 61 G 3.8100 8.0511 110.1290 47.1616 0.0000 175.3265 62 C 4.0471 8.0391 120.8711 59.5696 44.8462 175.5819 63 Q 3.8280 7.9471 118.6668 58.8196 28.3013 178.6228 64 A 3.9737 8.2525 122.2158 54.9941 18.4464 179.4352 65 L 3.2426 7.6673 119.2724 57.9666 42.0274 179.0656 66 S 4.0327 8.1046 113.2772 61.5230 62.3531 175.8572 67 E 4.0244 8.3287 121.9248 59.5048 29.3260 178.6363 68 M 4.3618 8.2788 118.9249 58.1676 31.9892 178.8177 69 I 3.8662 8.1086 120.3826 64.3844 37.2224 178.2056 70 Q 3.9836 8.2360 120.5538 58.9401 28.8267 177.8818 71 F 4.1540 8.5020 121.7607 61.6608 39.3796 176.7718 72 Y 3.5886 8.1118 116.1321 61.0568 37.4863 178.6564 73 L 4.0105 8.1580 118.8133 57.1683 41.7633 178.4772 74 E 4.3935 8.2737 117.1039 57.1504 30.5464 177.2049 75 E 4.4165 8.1964 116.2422 55.9483 31.3009 177.2211 76 V 3.8405 6.8905 116.7502 64.9260 32.6853 177.2701 77 M 4.0677 8.0657 118.4527 58.0224 31.5969 177.0417 78 P 4.4214 0.0000 0.0000 65.6182 31.2998 178.1381 79 Q 4.2223 7.9995 115.8655 58.2499 28.9739 177.9897 80 A 4.2810 8.1048 122.3442 55.0768 18.1831 179.4452 81 E 4.0746 8.3232 115.4232 59.1581 29.5806 178.1473 82 N 4.7807 7.4859 114.3394 53.3071 38.8387 176.0508 83 Q 4.2539 7.9874 121.5375 58.5215 29.3938 175.9526 84 D 4.5619 7.3843 114.6447 52.3323 43.8513 174.3536 85 P 4.2736 0.0000 0.0000 65.4323 31.4978 176.8106 86 D 4.5399 8.8747 117.4742 54.6982 41.2531 177.2585 87 I 4.1179 7.1175 112.9090 60.7544 38.2186 177.4176 88 K 3.9413 7.7895 121.9819 59.7215 32.0530 178.1842 89 A 4.0037 7.8332 120.5356 55.4752 18.2732 179.1914 90 H 4.2595 8.0118 114.2952 59.0663 28.8601 178.0866 91 V 3.6853 7.9263 120.1434 66.0608 31.3576 177.8100 92 N 4.4988 8.4031 116.1754 55.9250 38.3290 177.7564 93 S 4.1414 8.4414 117.3020 61.3602 62.9296 176.0955 94 L 4.0660 8.3088 123.4536 58.3138 41.6811 179.3371 95 G 3.6486 8.1508 105.4813 47.8439 0.0000 175.5636 96 E 3.9985 8.2636 120.9695 59.3078 29.5224 179.2010 97 N 4.3597 8.4242 116.7150 56.1268 38.5751 177.2502 98 L 3.9664 7.9402 121.8234 58.1816 42.2183 179.2788 99 K 4.0730 8.4581 118.7702 59.6085 31.9296 179.5889 100 T 3.9341 8.1398 116.3702 66.2594 68.3447 176.6414 101 L 3.9346 8.0481 122.3703 58.0861 42.1384 178.6746 102 R 3.9007 7.8752 118.7151 59.6980 29.9266 178.1816 103 L 3.9389 7.9811 119.8362 57.9669 42.0726 178.8961 104 R 3.8217 8.0589 118.7951 59.4513 29.8526 178.5768 105 L 4.1394 7.8489 117.6377 57.7703 41.6835 179.1680 106 R 4.0477 8.0321 118.0356 59.4314 30.4134 178.4165 107 R 4.2372 8.0783 117.6782 56.8335 29.7499 175.3021 108 C 4.1900 7.6569 116.9130 55.8700 41.0970 173.6809 109 H 3.7714 9.2658 124.2482 57.3259 25.8735 174.8358 110 R 3.9741 8.0361 109.6521 57.4987 27.7385 178.0381 111 F 4.4470 8.0922 115.3393 59.3213 39.9074 176.1875 112 L 4.7537 7.5400 122.4722 53.0196 42.2327 174.4215 113 P 4.5961 0.0000 0.0000 65.2426 31.9644 178.1573 114 C 4.3536 8.2087 112.2288 57.2833 41.5812 173.7750 115 E 4.3009 8.0886 118.6361 56.2025 29.9470 175.7921 116 N 4.7553 8.0956 117.5773 52.3677 39.7430 174.1439 117 K 4.5783 8.0467 118.8973 54.1436 35.3761 176.8384 118 S 4.1834 8.4082 116.6135 58.2568 63.3941 175.1993 119 K 3.9767 8.6974 130.0395 59.4558 32.1400 178.5976 120 A 4.0167 7.9339 120.7661 54.9826 18.3158 179.6282 121 V 3.5054 7.8568 117.0026 66.0276 31.5867 177.8464 122 E 3.9292 8.0729 118.7235 59.3596 29.3829 178.9060 123 Q 3.9830 8.0511 118.0055 58.8898 28.7245 178.8031 124 V 3.5939 7.7668 119.2412 66.1185 31.6910 178.2947 125 K 3.9964 8.2014 118.1065 59.2812 31.7948 179.2785 126 N 4.3353 8.3127 116.7575 56.3392 38.3339 177.3268 127 A 4.0198 8.0045 120.8866 55.0213 18.6169 179.1193 128 F 4.2705 8.5722 119.3621 61.5226 39.5257 177.1322 129 N 4.0971 8.2478 115.7974 56.3367 38.2110 177.6522 130 K 4.0185 7.7864 118.0207 58.8312 32.4848 178.5419 131 L 4.1294 7.6256 118.0394 54.2208 42.0899 178.1098 132 Q 2.9360 8.4568 119.4036 56.0291 28.7549 176.1068 133 E 3.5096 8.7931 123.0630 60.7148 29.0332 178.8747 134 K 4.2988 7.9619 118.3822 58.7194 31.9239 179.5470 135 G 3.3913 8.4455 107.3418 47.4342 0.0000 175.8025 136 I 3.8532 7.1620 122.2213 64.6859 37.1260 178.1353 137 Y 4.4054 7.5138 116.8735 61.0168 37.6965 178.5366 138 K 4.0352 8.2897 120.0776 59.4041 32.1382 178.8249 139 A 4.0796 8.3470 120.5574 55.4059 18.5498 179.2528 140 M 4.3463 8.2421 117.4653 58.4928 31.9232 179.1283 141 S 4.3187 8.3319 113.5232 60.7768 63.3219 175.2825 142 E 4.5467 8.0020 121.1699 56.2783 29.5369 177.6042 143 F 4.1234 8.3139 125.1422 61.4681 39.2872 176.8993 144 D 4.4517 8.2595 118.3179 56.4670 39.1500 178.5583 145 I 3.6745 7.6329 121.4246 63.9069 37.0350 177.9869 146 F 4.1273 7.7567 121.1032 61.3132 39.0705 177.1144 147 I 3.3252 7.4992 119.3432 64.2205 36.8829 178.0589 148 N 4.3057 8.1798 117.4609 56.6404 38.3640 177.0795 149 Y 4.4126 8.0149 118.0272 61.1794 37.9403 178.6086 150 I 3.6506 7.7450 120.7691 64.3805 37.1916 178.0854 151 E 3.9338 8.5141 120.2166 59.1818 29.5103 178.7064 152 A 4.0413 8.2041 120.9276 55.2263 18.0648 178.9727 153 Y 3.9332 8.1203 118.0596 61.1240 38.8698 178.2590 154 M 3.9280 8.3879 119.6506 58.7653 32.0241 178.9008 155 T 3.8421 8.5173 116.2305 66.7744 68.3572 176.3313 156 M 3.9976 7.7440 119.0072 58.0068 32.1783 177.7368 157 K 4.1686 7.0611 117.4860 58.1988 32.9893 178.3072 158 I 3.9531 7.7278 110.8333 61.1536 38.3290 175.8423 159 R 4.5882 7.5165 120.4468 54.0500 32.0345 175.9249 160 N 4.4173 8.8415 117.5533 54.0306 38.5167 174.8633 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *6 T 8.17 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 Q 9.02 4.11 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.30 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 *8 S 8.76 3.29 0.00 3.70 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.75 3.34 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 10 N 6.21 3.42 0.00 2.77 2.72 0.00 0.00 7.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.92 4.20 0.00 3.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.68 4.96 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.43 4.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 H 8.56 4.06 0.00 3.38 3.41 0.00 5.56 0.00 0.00 0.00 0.00 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.09 5.08 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 3.35 0.00 1.80 1.04 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 17 G 7.93 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.22 4.75 0.00 2.94 3.16 0.00 0.00 6.89 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.02 3.97 0.00 1.73 1.76 0.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.26 0.00 2.15 2.10 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 21 N 8.13 4.29 0.00 2.83 2.96 0.00 0.00 7.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.14 4.09 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.60 0.00 23 L 7.93 4.05 0.00 1.90 1.72 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.21 3.93 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 25 D 8.23 4.36 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.10 3.96 0.00 1.87 1.86 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.36 4.08 0.00 1.93 2.04 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 28 D 8.30 4.37 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.31 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.37 4.31 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.26 3.83 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.57 4.09 0.00 1.76 1.68 0.00 2.82 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 33 V 7.54 4.44 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.21 0.00 0.00 34 K 7.42 3.58 0.00 1.09 1.50 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 35 T 7.75 3.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 F 8.24 3.92 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.23 4.37 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.24 4.14 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 39 M 7.93 4.17 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 40 K 7.51 4.08 0.00 1.79 1.82 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.57 1.00 7.81 41 D 7.72 4.52 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.71 4.59 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 43 L 7.81 4.75 0.00 1.68 1.62 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.45 4.75 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.83 4.60 0.00 2.84 2.86 0.00 0.00 6.01 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.17 4.36 0.00 1.60 1.60 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.58 4.24 0.00 1.64 1.68 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.49 4.31 0.00 1.65 1.56 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.68 4.15 0.00 1.73 1.69 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.34 7.81 50 E 8.58 4.02 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 51 S 7.96 4.57 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.74 3.80 0.00 1.67 1.56 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.61 3.64 0.00 1.63 1.72 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.06 3.98 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 55 D 8.19 4.48 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.61 4.32 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.99 4.46 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 58 G 7.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.86 4.22 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 6.88 4.30 0.00 1.28 1.43 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.05 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.04 4.05 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.95 3.83 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 64 A 8.25 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.67 3.24 0.00 0.50 1.43 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.10 4.03 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.33 4.02 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 68 M 8.28 4.36 0.00 2.43 2.49 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.04 0.00 69 I 8.11 3.87 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.95 0.00 0.00 70 Q 8.24 3.98 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 71 F 8.50 4.15 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.11 3.59 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.16 4.01 0.00 1.64 1.75 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.27 4.39 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 75 E 8.20 4.42 0.00 1.34 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 76 V 6.89 3.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 -0.23 0.00 0.00 77 M 8.07 4.07 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.63 0.00 78 P 0.00 4.42 0.00 1.99 2.11 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 79 Q 8.00 4.22 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 80 A 8.10 4.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.32 4.07 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.37 0.00 82 N 7.49 4.78 0.00 2.77 2.90 0.00 0.00 7.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.99 4.25 0.00 2.25 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.88 2.85 0.00 84 D 7.38 4.56 0.00 2.54 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.27 0.00 2.18 2.14 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 86 D 8.87 4.54 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.12 4.12 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.10 0.44 0.00 0.00 88 K 7.79 3.94 0.00 1.86 1.80 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.29 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.57 7.81 89 A 7.83 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.01 4.26 0.00 3.18 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.93 3.69 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.19 0.00 0.00 92 N 8.40 4.50 0.00 2.97 2.86 0.00 0.00 7.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.44 4.14 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.31 4.07 0.00 1.94 1.94 1.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.15 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.26 4.00 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 97 N 8.42 4.36 0.00 2.97 2.88 0.00 0.00 6.68 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.94 3.97 0.00 1.75 1.83 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.46 4.07 0.00 1.98 1.85 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.71 7.81 100 T 8.14 3.93 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 101 L 8.05 3.93 0.00 1.79 1.67 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.88 3.90 0.00 1.95 2.08 0.00 3.49 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 103 L 7.98 3.94 0.00 1.98 1.75 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.06 3.82 0.00 2.12 2.15 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 105 L 7.85 4.14 0.00 1.87 1.88 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.03 4.05 0.00 1.95 1.94 0.00 3.42 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 107 R 8.08 4.24 0.00 1.80 1.84 0.00 3.20 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 108 C 7.66 4.19 0.00 1.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 9.27 3.77 0.00 3.39 3.55 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.04 3.97 0.00 2.07 2.07 0.00 3.27 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 111 F 8.09 4.45 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.54 4.75 0.00 1.72 1.52 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.60 0.00 2.27 2.32 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 114 C 8.21 4.35 0.00 3.09 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.09 4.30 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 116 N 8.10 4.76 0.00 2.79 2.81 0.00 0.00 6.72 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.05 4.58 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.31 7.81 118 S 8.41 4.18 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.70 3.98 0.00 1.85 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.49 7.81 120 A 7.93 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.86 3.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 122 E 8.07 3.93 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 123 Q 8.05 3.98 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 124 V 7.77 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 125 K 8.20 4.00 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.55 7.81 126 N 8.31 4.34 0.00 3.01 2.88 0.00 0.00 6.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.00 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.57 4.27 0.00 3.13 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.25 4.10 0.00 2.99 2.84 0.00 0.00 7.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.79 4.02 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 131 L 7.63 4.13 0.00 1.65 1.66 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.46 2.94 0.00 2.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 133 E 8.79 3.51 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 134 K 7.96 4.30 0.00 2.04 1.97 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.50 7.81 135 G 8.45 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.16 3.85 1.53 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.89 0.00 0.00 137 Y 7.51 4.41 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.29 4.04 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 139 A 8.35 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 8.24 4.35 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.87 0.00 141 S 8.33 4.32 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.00 4.55 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 143 F 8.31 4.12 0.00 3.36 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.26 4.45 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.63 3.67 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.25 0.00 0.00 146 F 7.76 4.13 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.50 3.33 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.49 0.85 0.00 0.00 148 N 8.18 4.31 0.00 2.81 2.91 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.01 4.41 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.75 3.65 1.73 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.09 0.79 0.00 0.00 151 E 8.51 3.93 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 152 A 8.20 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.12 3.93 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.39 3.93 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.70 0.00 155 T 8.52 3.84 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 156 M 7.74 4.00 0.00 1.87 2.28 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 157 K 7.06 4.17 0.00 1.66 1.71 0.00 1.44 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.04 1.35 7.81 158 I 7.73 3.95 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.51 0.88 0.00 0.00 159 R 7.52 4.59 0.00 1.86 1.85 0.00 3.33 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 160 N 8.84 4.42 0.00 2.69 2.75 0.00 0.00 6.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.